1.0 2016-09-30 22:40:36 UTC 2020-05-19 22:01:09 UTC BMDB0001063 BMDB01063 3-Hexaprenyl-4,5-Dihydroxybenzoic acid 3-Hexaprenyl-4,5-dihydroxybenzoic acid, also known as 3-hexaprenyl-4,5-dihydroxybenzoic acid or 3-hexaprenyl-4,5-dihydroxybenzoic acid, belongs to the class of organic compounds known as polyprenylbenzene-1,2-diols. Polyprenylbenzene-1,2-diols are compounds containing a polyisoprene chain attached to a catechol group. 3-Hexaprenyl-4,5-dihydroxybenzoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3-Hexaprenyl-4,5-dihydroxybenzoic acid exists in all eukaryotes, ranging from yeast to humans. In cattle, 3-hexaprenyl-4,5-dihydroxybenzoic acid is involved in the metabolic pathway called ubiquinone biosynthesis pathway. 3-Hexaprenyl-4,5-dihydroxybenzoate 3,4-Dihydroxy-5-hexaprenylbenzoate 3,4-Dihydroxy-5-hexaprenylbenzoic acid Dhhpba C37H54O4 562.8223 562.402210216 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid dhhpba 63975-40-6 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+ VEPICJBQCOUQPI-IRVXXIIISA-N belongs to the class of organic compounds known as polyprenylbenzene-1,2-diols. Polyprenylbenzene-1,2-diols are compounds containing a polyisoprene chain attached to a catechol group. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenylphenols Polyprenylbenzene-1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Catechols Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Sesterterpenoids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Catechol Dihydroxybenzoic acid Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Polyprenylbenzene-1,2-diol Sesterterpenoid Aromatic homomonocyclic compounds Ubiquinones dihydroxybenzoic acid Solid logp 8.41 ALOGPS logs -5.99 ALOGPS logp 11.05 ChemAxon pka_strongest_acidic 4.13 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid ChemAxon average_mass 562.8223 ChemAxon mono_mass 562.402210216 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O ChemAxon formula C37H54O4 ChemAxon inchi InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+ ChemAxon inchikey VEPICJBQCOUQPI-IRVXXIIISA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 180.53 ChemAxon polarizability 70.25 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Ubiquinone Biosynthesis SMP0087215 Specdb::MsMs 178383 Specdb::MsMs 178384 Specdb::MsMs 178385 Specdb::MsMs 180702 Specdb::MsMs 180703 Specdb::MsMs 180704 Specdb::MsMs 2679157 Specdb::MsMs 2679158 Specdb::MsMs 2679159 Specdb::MsMs 3025875 Specdb::MsMs 3025876 Specdb::MsMs 3025877 Specdb::CMs 12720 Specdb::CMs 37911 Specdb::CMs 282030 Specdb::CMs 350363 Specdb::CMs 350364 Specdb::CMs 350365 Specdb::CMs 350366 Specdb::CMs 350367 Specdb::CMs 350368 Specdb::CMs 350369 Specdb::CMs 350370 Specdb::CMs 350371 Specdb::CMs 350372 Specdb::CMs 350373 Specdb::CMs 350374 C05200 FDB022402 4444330 5280760 18081 5976 BMDBP00413 Ubiquinone biosynthesis O-methyltransferase, mitochondrial Q3T131 COQ3 Enzyme